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Compound Detail

CHEMBL4551980

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Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2cc(F)ccc2C(F)(F)F)ccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4551980
Phase Preclinical
Structure Type MOL
InChI Key VHAUTADTOGJHAR-LUOAPIJWSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.4
MW (Da)
4.71
ALogP
4
HBA
2
HBD
83.7
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17F4N3O3
MW 447.39
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.58

Activity Summary

EC50 2 meas.
IC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
 IC50 5.4 5.4 3990.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 3990.0 nM 5.4 Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... -

Data from ChEMBL 36 via Core Engine